Indian Association for the Cultivation of Science

About: Indian Association for the Cultivation of Science is a education organization based out in Kolkata, India. It is known for research contribution in the topics: Catalysis & Excited state. The organization has 3867 authors who have published 10457 publications receiving 220098 citations.

Current status and prospects on chemical structure driven photoluminescence behaviour of carbon dots

Abstract: Fluorescent carbon dots (C-dots) are new class of nanomaterials with widespread applications in optoelectronics, bio-imaging, catalysis, and sensing. The origin of photoluminescence of carbon dots is a debatable issue which is pretend to depend on the chemical structures such as graphitic conjugated core, molecular fluorophores and the surface defect states found to be dependent on the method of preparation. In this review, we have illustrated the important issues and challenges of the luminescent carbon dots and their potential applications. Graphitic conjugated core containing carbon dots is being synthesized usually from bulk materials like graphite, graphene and graphene oxide which exhibit size dependent photoluminescence behaviour due to quantum confinement. On the other hand, carbon dots synthesized from small molecules exhibit excitation dependent emission due to the presence of surface energy trap states which can be tuned by surface modification. Again, presence of both conjugated core and surface defect generates dual emission property. It is evident that various molecular fluorophores are produced inside carbon dots during low temperature synthesis. Hetero-atom doping is another strategy to tune the photoluminescence properties of carbon dots. Red emitting carbon dots are found to be suitable for bio-imaging applications after surface modification. Again, high quantum yield and solar light absorbing carbon dots are required for light harvesting and optoelectronic applications. Surface modified carbon dots are found to be appropriate for sensing applications. Analysis reveals that carbon dots based hybrid systems provide good applicability towards construction of solar cell devices because of their efficient charge separation.

Phase transitions in the quantum Ising and rotor models with a long-range interaction

Abstract: We investigate the zero-temperature and finite-temperature phase transitions of quantum Ising and quantum rotor models. We here assume a long-range (falling off as ${1/r}^{d+\ensuremath{\sigma}},$ where r is the distance between two spins/rotors in units of lattice spacing) ferromagnetic interaction among the spins or rotors. We find that the long-range behavior of the interaction drastically modifies the universal critical behavior of the system. The corresponding upper critical dimension and the hyperscaling relation and exponents associated with the quantum transition are modified and, as expected, they attain values of short-range system when $\ensuremath{\sigma}=2.$ The dynamical exponent varies continuously as the parameter \ensuremath{\sigma} and is unity for $\ensuremath{\sigma}=2.$ The one-dimensional long-range quantum Ising system shows a phase transition at $T=0$ for all values of \ensuremath{\sigma}. The most interesting observation is that the phase diagram for $\ensuremath{\sigma}=d=1$ shows a line of Kosterlitz-Thouless transition at finite temperature even though the $T=0$ transition is a simple order-disorder transition. These finite temperature transitions are studied near the phase boundary using renormalisation group equations and a region with diverging susceptibility is located. We have also studied one-dimensional quantum rotor model which exhibits a rich and interesting transition behavior depending upon the parameter \ensuremath{\sigma}. We explore the phase diagram extending the short-range quantum nonlinear \ensuremath{\sigma} model renormalisation group equations to the present case.

Full implementation and benchmark studies of Mukherjee's state-specific multireference coupled-cluster ansatz

Abstract: The state-specific multireference coupled-cluster (SS-MRCC) ansatz developed by Mukherjee and co-workers [J. Chem. Phys. 110, 6171 (1999)] has been implemented by means of string-based techniques. The implementation is general and allows for using arbitrary complete active spaces of any spin multiplicity and arbitrarily high excitations in the cluster operators. Several test calculations have been performed for single- and multiple-bond dissociations of molecular systems. Our experience shows that convergence problems are encountered when solving the working equations of the SS-MRCC in the case the weight of one or more reference functions tends to take on very small values. This is system specific and cannot yet be handled in a black-box fashion. The problem can be obviated by either dropping all the cluster amplitudes from the corresponding model functions with coefficients below a threshold or by a regularization procedure suggested by Tikhonov or a combination of both. In the current formulation the S...